methyl 4-(2-{[6-(2-methylbenzamido)-1,3-benzothiazol-2-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 4-(2-{[6-(2-methylbenzamido)-1,3-benzothiazol-2-yl]sulfanyl}acetamido)benzoate
methyl 4-(2-{[6-(2-methylbenzamido)-1,3-benzothiazol-2-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | 3706-0498 |
| Compound Name: | methyl 4-(2-{[6-(2-methylbenzamido)-1,3-benzothiazol-2-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 491.59 |
| Molecular Formula: | C25 H21 N3 O4 S2 |
| Smiles: | Cc1ccccc1C(Nc1ccc2c(c1)sc(n2)SCC(Nc1ccc(cc1)C(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4493 |
| logD: | 5.4472 |
| logSw: | -5.3977 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.463 |
| InChI Key: | CGIYFCCNZOKXGE-UHFFFAOYSA-N |